(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide

C15H21FN2O — CID 93370008

IUPAC(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESC[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O/c1-11(13-7-3-4-8-14(13)16)18(2)15(19)12-6-5-9-17-10-12/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyDEBBIJBGXMUZAK-VXGBXAGGSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds3

About (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 93370008) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID93370008
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESC[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O/c1-11(13-7-3-4-8-14(13)16)18(2)15(19)12-6-5-9-17-10-12/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyDEBBIJBGXMUZAK-VXGBXAGGSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-[1-(2-fluorophenyl)ethyl]-N-methylpyrrolidine-3-sulfonamide
CID 65416386
N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
CID 63181963

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 93370008) is (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide is C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is DEBBIJBGXMUZAK-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(13-7-3-4-8-14(13)16)18(2)15(19)12-6-5-9-17-10-12/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 93370008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).